Related papers: Quantum electrodynamical time-dependent density fu…
We present an alternative to the Kohn-Sham formulation of density functional theory for the ground-state properties of strongly interacting electronic systems. The idea is to start from the limit of zero kinetic energy and systematically…
For systems of interacting, ultracold spin-zero neutral bosonic atoms, harmonically trapped and subject to an optical lattice potential, we derive an Extended Bose Hubbard (EBH) model by developing a systematic expansion for the Hamiltonian…
The development of reliable ab initio methods for light-matter strong coupling is necessary for a deeper understanding of molecular polaritons. The recently developed strong coupling quantum electrodynamics Hartree-Fock model (SC-QED-HF)…
The Quantum-Electrodynamical Time-Dependent Density Functional Theory (QED-TDDFT) equations are solved by time propagating the wave function on a tensor product of a Fock-space and real-space grid. Applications for molecules in cavities…
We present a novel joint time-dependent density-functional theory for the description of solute-solvent systems in time-dependent external potentials. Starting with the exact quantum-mechanical action functional for both electrons and…
In modeling low-dimensional electronic nanostructures, the evaluation of the electron-electron interaction is a challenging task. Here we present an accurate and practical density-functional approach to the two-dimensional many-electron…
We study the spectral properties of a system of electrons interacting through long-range Coulomb potential on a one-dimensional chain. When the interactions dominate over the electronic bandwidth, the charges arrange in an ordered…
Quantum light-matter systems at strong coupling are notoriously challenging to analyze due to the need to include states with many excitations in every coupled mode. We propose a nonperturbative approach to analyze light-matter correlations…
Given a vector space of microscopic quantum observables, density functional theory is formulated on its dual space. A generalized Hohenberg-Kohn theorem and the existence of the universal energy functional in the dual space are proven. In…
Time-dependent density functional theory, proposed recently in the context of atomic diffusion and non-equilibrium processes in solids, is tested against Monte Carlo simulation. In order to assess the basic approximation of that theory, the…
Time-dependent density functionals in principle depend on the initial state of the system, but this is ignored in functional approximations presently in use. For one electron it is shown there is no initial-state dependence: for any…
We study a model in which a Hubbard Hamiltonian is coupled to the dispersive phonons in a classical nonlinear lattice. Our calculations are restricted to the case where we have only two quasi-particles of opposite spins, and we investigate…
We formulate and analyze in detail the ground state quantum electrodynamical density functional theory (QEDFT) for a generalized Dicke model describing a collection of $N$ tight-binding dimers minimally coupled to a cavity photon mode. This…
An exact theoretical framework based on Time Dependent Density Functional Theory (TDDFT) is proposed in order to deal with the time-dependent quantum transport in fully interacting systems. We use a \textit{partition-free} approach by Cini…
Motivated by the rapidly growing possibilities for experiments with ultracold atoms in optical lattices we investigate the thermodynamic properties of correlated lattice fermions in the presence of an external spin-dependent random…
We demonstrate that, for a fermionic lattice system, the ground-state particle density uniquely determines the external potential except for the sites corresponding to nodes of the wave function, and the limiting case where the Pauli…
A quantum mechanical model of two interacting electrons in graphene is considered. We concentrate on the case of zero total momentum of the pair. We show that the dynamics of the system is very unusual. Both stationary and time-dependent…
We study a system of electrons on a one-dimensional lattice, interacting through the long range Coulomb forces, by means of a variational technique which is the strong coupling analog of the Gutzwiller approach. The problem is thus the…
The effective lattice models in strongly correlated electron systems are \emph{derived} in particular for the cuprate superconductors, that incorporate the quantum fluctuations of the spin Berry's phase and the antiferromagnetic…
In the current density functional theory of linear and nonlinear time-dependent phenomena, the treatment of exchange and correlation beyond the level of the adiabatic local density approximation is shown to lead to the appearance of…